(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C16H23NO2 — CID 104947068

IUPAC(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC(C1CCCCC1)O2
InChIInChI=1S/C16H23NO2/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h7-9,11,14,16H,2-6,10,17H2,1H3/t14-,16?/m1/s1
InChIKeyPTNRUEMQEWDXSP-IURRXHLWSA-N
MW261.37 g/mol
LogP3.43
Rot. Bonds2

About (4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine

(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947068) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947068
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC(C1CCCCC1)O2
InChIInChI=1S/C16H23NO2/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h7-9,11,14,16H,2-6,10,17H2,1H3/t14-,16?/m1/s1
InChIKeyPTNRUEMQEWDXSP-IURRXHLWSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946752
6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
CID 114710103
(4R)-2-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947122
7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708777
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990
2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709859
6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715458
2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114711017
6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 114709076
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 104947533
(4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine
CID 104945742
(4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
CID 104945493

Frequently Asked Questions

What is the IUPAC name of (4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 104947068) is (4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)[C@H](N)CC(C1CCCCC1)O2.
What is the InChIKey of (4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PTNRUEMQEWDXSP-IURRXHLWSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h7-9,11,14,16H,2-6,10,17H2,1H3/t14-,16?/m1/s1.
What are the key properties of (4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 261.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).